1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine

C18H16ClFN2O2S — CID 66925084

IUPAC1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(F)cc2)n(S(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H16ClFN2O2S/c1-21-11-13-9-18(14-5-7-16(20)8-6-14)22(12-13)25(23,24)17-4-2-3-15(19)10-17/h2-10,12,21H,11H2,1H3
InChIKeyYQKRSVWBSNMMHW-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.90
Rot. Bonds5

About 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine

1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine (PubChem CID 66925084) has the molecular formula C18H16ClFN2O2S and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine
PubChem CID66925084
Molecular FormulaC18H16ClFN2O2S
Molecular Weight378.86 g/mol
Exact Mass378.06
IUPAC Name1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(F)cc2)n(S(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H16ClFN2O2S/c1-21-11-13-9-18(14-5-7-16(20)8-6-14)22(12-13)25(23,24)17-4-2-3-15(19)10-17/h2-10,12,21H,11H2,1H3
InChIKeyYQKRSVWBSNMMHW-UHFFFAOYSA-N
XLogP3.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trideuterio-N-[[5-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrol-3-yl]methyl]methanamine
CID 164883775
4-[2-(4-fluorophenyl)-4-[(trideuteriomethylamino)methyl]pyrrol-1-yl]sulfonylbenzonitrile
CID 164883786
1-[1-(1-benzofuran-2-ylsulfonyl)-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 72948789
N-methyl-1-[5-phenyl-1-[4-(trifluoromethylsulfonyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66925275
3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenol
CID 90168780
[1-(3-chlorophenyl)sulfonyl-5-phenylpyrrol-3-yl]methyl-methylcarbamic acid
CID 66924786
1-[5-(2,5-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66925096
N-methyl-1-[1-(3-methylsulfonylphenyl)sulfonyl-5-pyridin-3-ylpyrrol-3-yl]methanamine
CID 66925158
1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 66925302
1-[1-(3-chlorophenyl)sulfonyl-4-methoxy-5-(2,4,6-trifluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 122662115
1-[5-(2-fluorophenyl)-1-[3-(5-fluoro-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 167310389
1-[5-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353587

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine (CID 66925084) is 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccc(F)cc2)n(S(=O)(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is YQKRSVWBSNMMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2S/c1-21-11-13-9-18(14-5-7-16(20)8-6-14)22(12-13)25(23,24)17-4-2-3-15(19)10-17/h2-10,12,21H,11H2,1H3.
What are the key properties of 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine?
1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 378.86 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66925084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).